7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid

C22H22FNO3 — CID 123292841

IUPAC7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCc1nc(-c2ccccc2)c(-c2ccccc2F)o1
InChIInChI=1S/C22H22FNO3/c23-18-13-9-8-12-17(18)22-21(16-10-4-3-5-11-16)24-19(27-22)14-6-1-2-7-15-20(25)26/h3-5,8-13H,1-2,6-7,14-15H2,(H,25,26)
InChIKeyYJTICOLLIDHBBY-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.73
Rot. Bonds9

About 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid

7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid (PubChem CID 123292841) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid
PubChem CID123292841
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid
SMILESO=C(O)CCCCCCc1nc(-c2ccccc2)c(-c2ccccc2F)o1
InChIInChI=1S/C22H22FNO3/c23-18-13-9-8-12-17(18)22-21(16-10-4-3-5-11-16)24-19(27-22)14-6-1-2-7-15-20(25)26/h3-5,8-13H,1-2,6-7,14-15H2,(H,25,26)
InChIKeyYJTICOLLIDHBBY-UHFFFAOYSA-N
XLogP5.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-[5-(3,5-difluorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164621381
4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
CID 11947956
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
N-hydroxy-7-[5-(4-hydroxyphenyl)-4-phenyl-1,3-oxazol-2-yl]heptanamide
CID 11501784
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
CID 69007578
6-(1,3-benzoxazol-2-yl)hexanoic acid
CID 18979147
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
CID 174802507
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
N-hydroxy-6-(5-methyl-4-phenyl-1,3-oxazol-2-yl)hexanamide
CID 11616233
N-hydroxy-N-methyl-4-[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]butanamide
CID 22505284

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid?
The IUPAC name of 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid (CID 123292841) is 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid.
What is the SMILES notation for 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid?
The canonical SMILES for 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid is O=C(O)CCCCCCc1nc(-c2ccccc2)c(-c2ccccc2F)o1.
What is the InChIKey of 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid?
The InChIKey is YJTICOLLIDHBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-18-13-9-8-12-17(18)22-21(16-10-4-3-5-11-16)24-19(27-22)14-6-1-2-7-15-20(25)26/h3-5,8-13H,1-2,6-7,14-15H2,(H,25,26).
What are the key properties of 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid?
7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid has a molecular weight of 367.42 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-fluorophenyl)-4-phenyl-1,3-oxazol-2-yl]heptanoic acid is sourced from PubChem (CID 123292841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).